Compound Identification
SMILES
CCOC(=O)CSC1(S[C@@H]2C[C@H]1C=C2)C(=O)OCC
InChIKey
InChIKey=FFPMJCNMUDUNKH-GDVCOKDOSA-N
Formula
C13H18O4S2
Mass
302.4
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organic acids and derivatives
-
Class
Carboxylic acids and derivatives
-
Subclass
Dicarboxylic acids and derivatives
- Level 5 Thiodiacetic acid derivatives
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Subclass
Dicarboxylic acids and derivatives
-
Class
Carboxylic acids and derivatives
-
Superclass
Organic acids and derivatives
Kingdom
Organic compounds
Superclass
Organic acids and derivatives
Class
Carboxylic acids and derivatives
Subclass
Dicarboxylic acids and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Thiodiacetic acid derivatives
Alternative Parents
Dithioketals Thiopyrans Thiolanes Carboxylic acid esters Sulfenyl compounds Dialkylthioethers Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Thiodiacetic_acid - Dithioketal - Thiopyran - Thioacetal - Thiolane - Carboxylic acid ester - Organoheterocyclic compound - Thioether - Dialkylthioether - Sulfenyl compound - Organosulfur compound - Organooxygen compound - Hydrocarbon derivative - Carbonyl group - Organic oxygen compound - Organic oxide - Aliphatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as thiodiacetic acid derivatives. These are compounds containing a thiodiacetic acid group (or esters/salts thereof) which is made up of two 2-sulfanylacetic (OC(=O)CS) acid moieties sharing their sulfur atom.
External Descriptors
Not available